SCHEMBL19601646

SCHEMBL19601646

CCN1CCCc2cccc(CC(C)C)c21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PTGER4 P35408 2/20 0.37
PTGER2 P43116 2/20 0.37
ALOX12 P18054 1/20 0.36
HTR1A P08908 1/20 0.36
CYP19A1 P11511 6/20 0.35
HTR2C P28335 2/20 0.34
CES1 P23141 2/20 0.34
HTR2B P41595 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19601639 0.88 PIK3CD (0.42) HRH3MEN1ALDH1A1KMT2AGABRA1
SCHEMBL19603145 0.84 HRH3 (0.51) HRH3MEN1ALDH1A1KMT2APTGER4
SCHEMBL30487811 0.82 HRH3 (0.49) HRH3MEN1ALDH1A1KMT2APTGER4
SCHEMBL9828733 0.82 HRH3 (0.49) HRH3MEN1ALDH1A1KMT2APTGER4
SCHEMBL19601652 0.81 GABRA1 (0.40) HRH3MEN1ALDH1A1KMT2AGABRA1
SCHEMBL19603148 0.79 PIK3CD (0.46) HRH3MEN1ALDH1A1KMT2APTGER4
SCHEMBL19601640 0.77 HTR2C (0.40) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19601653 0.76 NOTUM (0.51) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19601648 0.76 RAB9A (0.38) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19603214 0.75 PIK3CD (0.41) HRH3MEN1ALDH1A1KMT2APTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
WO-2017197192-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 HRH3 3121/4885MEN1 3674/4885ALDH1A1 932/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 HRH3 3121/4885MEN1 3674/4885ALDH1A1 932/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 HRH3 3121/4885MEN1 3674/4885ALDH1A1 932/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.